6-(2-dodecanoyl-2-pentyl-hydrazinyl)-6-oxidanylidene-5-[[1-(phenylmethyl)indol-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-(2-dodecanoyl-2-pentyl-hydrazinyl)-6-oxidanylidene-5-[[1-(phenylmethyl)indol-3-yl]carbonylamino]hexanoic acid Openeye Name: 5-[(1-benzylindole-3-carbonyl)amino]-6-(2-dodecanoyl-2-pentyl-hydrazino)-6-oxo-hexanoic acid CAS Name: 6-oxo-6-[2-(1-oxododecyl)-2-pentylhydrazinyl]-5-[[oxo-[1-(phenylmethyl)-3-indolyl]methyl]amino]hexanoic acid IUPAC Name: 5-[(1-benzylindole-3-carbonyl)amino]-6-(2-dodecanoyl-2-pentylhydrazinyl)-6-oxohexanoic acid Traditional Name: 6-(N'-amyl-N'-lauroyl-hydrazino)-5-[(1-benzylindole-3-carbonyl)amino]-6-keto-hexanoic acid Formula: C39H56N4O5 MolecularWeight: 660.88574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(CCCCC)NC(=O)C(CCCC(=O)O)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)N(CCCCC)NC(=O)C(CCCC(=O)O)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C39H56N4O5/c1-3-5-7-8-9-10-11-12-16-26-36(44)43(28-19-6-4-2)41-39(48)34(24-20-27-37(45)46)40-38(47)33-30-42(29-31-21-14-13-15-22-31)35-25-18-17-23-32(33)35/h13-15,17-18,21-23,25,30,34H,3-12,16,19-20,24,26-29H2,1-2H3,(H,40,47)(H,41,48)(H,45,46)